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6GFG
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BU of 6gfg by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-04-30
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6GJA
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BU of 6gja by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
8OXE
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BU of 8oxe by Molmil
Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION
Authors:Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M.
Deposit date:2023-05-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1).
Biochemistry, 63, 2024
7R5Y
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BU of 7r5y by Molmil
Crystal Structure of Prevotella sp. CAG:617 Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
Descriptor: D-MYO-INOSITOL-HEXASULPHATE, Histidine acid phosphatase, SULFATE ION
Authors:Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
Deposit date:2022-02-12
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of Prevotella sp. CAG:617 Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
To Be Published
2XAM
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Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
Authors:Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XAN
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BU of 2xan by Molmil
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5
Descriptor: INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MAGNESIUM ION, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ...
Authors:Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XAR
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BU of 2xar by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP6.
Descriptor: INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ZINC ION
Authors:Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XAO
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BU of 2xao by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP5
Descriptor: INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ZINC ION
Authors:Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XAL
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BU of 2xal by Molmil
Lead derivative of Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
Authors:Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J.
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2020-10-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
4FDU
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BU of 4fdu by Molmil
Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase
Descriptor: 1,2-ETHANEDIOL, D-MYO-INOSITOL-HEXASULPHATE, Putative multiple inositol polyphosphate histidine phosphatase 1
Authors:Li, A.W.H, Hemmings, A.M.
Deposit date:2012-05-29
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:A Bacterial Homolog of a Eukaryotic Inositol Phosphate Signaling Enzyme Mediates Cross-kingdom Dialog in the Mammalian Gut.
Cell Rep, 6, 2014
4FDT
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BU of 4fdt by Molmil
Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative multiple inositol polyphosphate histidine phosphatase 1
Authors:Li, A.W.H, Hemmings, A.M.
Deposit date:2012-05-29
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A Bacterial Homolog of a Eukaryotic Inositol Phosphate Signaling Enzyme Mediates Cross-kingdom Dialog in the Mammalian Gut.
Cell Rep, 6, 2014
5MW8
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BU of 5mw8 by Molmil
INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCULUS IN COMPLEX WITH ATP and IP5
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
Authors:Franco-Echevarria, E, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2017-01-18
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function.
J. Biol. Chem., 292, 2017
5MWM
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BU of 5mwm by Molmil
INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCULUS IN COMPLEX WITH IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ZINC ION
Authors:Franco-Echevarria, E, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2017-01-18
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function.
J. Biol. Chem., 292, 2017
5MWL
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BU of 5mwl by Molmil
INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. MUSCULUS IN COMPLEX WITH ATP and IP5
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION, ...
Authors:Franco-Echevarria, E, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2017-01-18
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function.
J. Biol. Chem., 292, 2017
4AQK
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BU of 4aqk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
Authors:I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Expression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of the Apo Form of Insp5 2-K from Arabidopsis Thaliana.
Acta Crystallogr.,Sect.F, 68, 2012
8PPG
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BU of 8ppg by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPE
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BU of 8ppe by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PP9
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BU of 8pp9 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPB
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BU of 8ppb by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPA
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BU of 8ppa by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn
Descriptor: D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPC
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BU of 8ppc by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PP8
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BU of 8pp8 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn
Descriptor: Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPJ
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BU of 8ppj by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPF
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BU of 8ppf by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg
Descriptor: Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPI
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BU of 8ppi by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024

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